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CAS 1375064-66-6

:

Ethyl 2-nitro-4-(1H-pyrazol-1-yl)benzoate

Description:
Ethyl 2-nitro-4-(1H-pyrazol-1-yl)benzoate is an organic compound characterized by its complex structure, which includes an ethyl ester group, a nitro group, and a pyrazole moiety. This compound typically appears as a solid or crystalline substance and is soluble in organic solvents, reflecting its non-polar characteristics due to the presence of aromatic and aliphatic groups. The nitro group contributes to its potential reactivity, making it a candidate for various chemical transformations. The pyrazole ring adds to its biological activity, as compounds containing pyrazole are often investigated for pharmacological properties. Ethyl 2-nitro-4-(1H-pyrazol-1-yl)benzoate may exhibit properties such as antimicrobial or anti-inflammatory effects, although specific biological activities would depend on further empirical studies. Its synthesis generally involves the nitration of a substituted benzoate followed by the introduction of the pyrazole ring, making it of interest in synthetic organic chemistry and medicinal chemistry research. Safety data and handling precautions should be observed due to the presence of the nitro group, which can be hazardous.
Formula:C12H11N3O4
InChI:InChI=1S/C12H11N3O4/c1-2-19-12(16)10-5-4-9(8-11(10)15(17)18)14-7-3-6-13-14/h3-8H,2H2,1H3
InChI key:InChIKey=GLXZTAMHMOVJEM-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(N(=O)=O)C=C(C=C1)N2C=CC=N2
Synonyms:
  • Benzoic acid, 2-nitro-4-(1H-pyrazol-1-yl)-, ethyl ester
  • Ethyl 2-nitro-4-(1H-pyrazol-1-yl)benzoate
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